Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL178015

COc1ccc(C(=O)N2CCc3nc(OC4CCN(C5CCC5)CC4)sc3C2)cc1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 2/20 0.42
HRH3 Q9Y5N1 15/20 0.44
KCNH2 Q12809 4/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRM5 P41594 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17156947 0.94 HRH3 (0.48) HRH3KCNH2PDE4BPDE4DHDAC3
Cadaverine Tartrate SCHEMBL173338 0.90 HRH3 (0.47) HRH3KCNH2PDE4BHRH1GRM5
Cadaverine Tartrate SCHEMBL15738417 0.85 ALDH1A1 (0.43) HRH3GRM5
SCHEMBL17156960 0.84 KDM4E (0.46) HRH3KCNH2PDE4BHRH1GRM5
Cadaverine Tartrate SCHEMBL15737753 0.83 HRH3 (0.39) HRH3KCNH2GRM5
Cadaverine Tartrate SCHEMBL15739047 0.82 MEN1 (0.43) HRH3KCNH2PDE4BGRM5KDM4E
Cadaverine Tartrate SCHEMBL165886 0.82 NPC1 (0.46) HRH3GRM5
Cadaverine Tartrate SCHEMBL15738691 0.82 GRM5 (0.46) HRH3GRM5
Cadaverine Tartrate SCHEMBL15737941 0.82 GRM5 (0.48) HRH3GRM5
Cadaverine Tartrate SCHEMBL165873 0.81 GRM5 (0.47) HRH3HDAC6GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP claimed
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US claimed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US claimed
EP-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP disclosed
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US disclosed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US disclosed
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS HRH3, HRH4, HRH1 HRH1 3/4885HRH3 1/4885KCNH2 691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.