Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9870481

Nc1nc(-c2ccccc2)c(CCC2CC(c3ccccc3)=CCN2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.46

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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 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FBP1 P09467 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
PTGDR2 Q9Y5Y4 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.32
ADAMTS5 Q9UNA0 3/20 0.32
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
Cadaverine Tartrate SCHEMBL7275463 0.96 CYP1A2 (0.44) CYP1A2ALDH1A1MAPTGAAPOLB
SCHEMBL7270078 0.91 ALDH1A1 (0.48) CYP1A2ALDH1A1MAPTGAAPOLB
Hydrochloric Acid SCHEMBL9871841 0.86 HTT (0.49) CYP1A2ALDH1A1MAPTGAAHTT
Cadaverine Tartrate SCHEMBL9870829 0.86 HRH2 (0.41)
Hydrochloric Acid SCHEMBL7270360 0.85 ALDH1A1 (0.44) CYP1A2ALDH1A1MAPTGAAPOLB
SCHEMBL9872432 0.83 ALDH1A1 (0.43) CYP1A2ALDH1A1MAPTGAAPOLB
Hydrochloric Acid SCHEMBL7270544 0.82 ALDH1A1 (0.44) CYP1A2ALDH1A1MAPTGAAPOLB
Cadaverine Tartrate SCHEMBL9870484 0.74 CYP1A2 (0.46) CYP1A2ALDH1A1MAPTHSD17B10KDM4E
Hydrochloric Acid SCHEMBL7328460 0.72 ATM (0.44) ALDH1A1MAPTGAAPOLBHTT
Cadaverine Tartrate SCHEMBL7270386 0.70 CYP1A2 (0.46) CYP1A2ALDH1A1MAPTCYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071864-A Administering for high blood pressure and central nervous syst em disorders BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed