Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL8700671

COC1CCOC(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)C1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.51

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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 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.51
GRM5 P41594 1/20 0.35
NR3C2 P08235 6/20 0.34
MCHR1 Q99705 3/20 0.33
GPR119 Q8TDV5 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PORCN Q9H237 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
SCHEMBL8698136 0.92 ALOX5 (0.56) ALOX5GRM5NR3C2MCHR1CYP3A4
Fumaric Acid SCHEMBL8695811 0.92 ALOX5 (0.51) ALOX5GRM5NR3C2MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8695817 0.92 ALOX5 (0.55) ALOX5GRM5NR3C2MCHR1CYP3A4
SCHEMBL8696026 0.87 ALOX5 (0.48) ALOX5GRM5NR3C2MCHR1CYP2D6
SCHEMBL8409241 0.85 ALOX5 (0.55) ALOX5GRM5NR3C2MCHR1CYP3A4
SCHEMBL8695831 0.84 ALOX5 (0.46) ALOX5GRM5MCHR1
Hydrochloric Acid SCHEMBL8700984 0.84 ALOX5 (0.44) ALOX5MCHR1
SCHEMBL8700996 0.82 ALOX5 (0.44) ALOX5GRM5NR3C2MCHR1CYP3A4
Hydrochloric Acid SCHEMBL8695823 0.81 ALOX5 (0.43) ALOX5MCHR1
Hydrochloric Acid SCHEMBL8701005 0.81 ALOX5 (0.51) ALOX5GRM5NR3C2MCHR1CYP3A4

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-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed