Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL7396266

CCCN(CCCSc1sc(N)nc1C)CCc1ccccc1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.39

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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 12)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 4/20 0.38
OPRD1 known ✓ P41143 4/20 0.38
OPRK1 known ✓ P41145 4/20 0.38
HRH1 known ✓ P35367 6/20 0.36
HRH2 P25021 8/20 0.38
DRD2 P14416 8/20 0.38
DRD3 P35462 8/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH4 Q9H3N8 7/20 0.37
HRH3 Q9Y5N1 6/20 0.36
LTB4R Q15722 1/20 0.35

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
Hydrochloric Acid SCHEMBL7396155 0.85 DRD2 (0.41) DRD2DRD3OPRM1OPRD1OPRK1
Cadaverine Tartrate SCHEMBL7327577 0.84 ALDH1A1 (0.48) KDM4ESMN1; SMN2
Fumaric Acid SCHEMBL9872705 0.75 HRH2 (0.49) HRH2DRD2DRD3HRH4HRH1
Fumaric Acid SCHEMBL7270229 0.75 HRH2 (0.49) HRH2DRD2DRD3HRH4HRH1
Hydrochloric Acid SCHEMBL7298682 0.74 HRH2 (0.47) HRH2DRD2DRD3OPRM1OPRD1
Fumaric Acid SCHEMBL9871662 0.74 HRH2 (0.48) HRH2DRD2DRD3OPRM1OPRD1
Fumaric Acid SCHEMBL7269782 0.74 HRH2 (0.48) HRH2DRD2DRD3OPRM1OPRD1
Cadaverine Tartrate SCHEMBL9872238 0.69 ALDH1A1 (0.45)
Hydrochloric Acid SCHEMBL7268936 0.67 ALDH1A1 (0.54) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL8589943 0.67 DRD2 (0.56) DRD2DRD3OPRM1OPRD1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418235-A Hypotensive, Parkinson's disease, schizophrenia BASF AKTIENGESELLSCHAFT (DE) 1995-05-23 US claimed
EP-0589903-B1 AMINOALKYL-SUBSTITUTED 5-MERCAPTOTHIAZOLES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 1998-09-09 EP disclosed
US-5418235-A Hypotensive, Parkinson's disease, schizophrenia BASF AKTIENGESELLSCHAFT (DE) 1995-05-23 US disclosed
EP-0589903-A1 AMINOALKYL-SUBSTITUTED 5-MERCAPTOTHIAZOLES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed
WO-1992022540-A1 AMINOALKYL-SUBSTITUTED 5-MERCAPTOTHIAZOLES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1992-12-23 WO disclosed